1H-1,2,4-Triazole-3-carboxylicacid,1-methyl-,methylester(9CI)
- Product Name
- 1H-1,2,4-Triazole-3-carboxylicacid,1-methyl-,methylester(9CI)
- CAS No.
- 57031-66-0
- Chemical Name
- 1H-1,2,4-Triazole-3-carboxylicacid,1-methyl-,methylester(9CI)
- Synonyms
- methyl 1-methyl-1,2,4-triazole-3-carboxylate;Methyl 1-Methyl-1H-1,2,4-triazole-3-carboxylate;1-Methyl-1H-[1,2,4]triazole-3-carboxylic acid aMide;1-Methyl-1H-[1,2,4]triazole-3-carboxylicacidmethylester;1H-1,2,4-Triazole-3-carboxylic acid, 1-methyl-, methyl ester;1H-1,2,4-Triazole-3-carboxylicacid,1-methyl-,methylester(9CI)
- CBNumber
- CB51274188
- Molecular Formula
- C5H7N3O2
- Formula Weight
- 141.13
- MOL File
- 57031-66-0.mol
1H-1,2,4-Triazole-3-carboxylicacid,1-methyl-,methylester(9CI) Property
- Boiling point:
- 263℃
- Density
- 1.32
- Flash point:
- 113℃
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 0.69±0.10(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C5H7N3O2/c1-8-3-6-4(7-8)5(9)10-2/h3H,1-2H3
- InChIKey
- NKPPQSVPTZHGMA-UHFFFAOYSA-N
- SMILES
- N1(C)C=NC(C(OC)=O)=N1
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P270Do not eat, drink or smoke when using this product.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P321Specific treatment (see … on this label).
P330Rinse mouth.
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P362Take off contaminated clothing and wash before reuse.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- M338478
- Product name
- Methyl1-Methyl-1H-[1,2,4]triazole-3-carboxylate
- Packaging
- 100mg
- Price
- $60
- Updated
- 2021/12/16
- Product number
- 35314
- Product name
- Methyl1-methyl-1H-[1,2,4]triazole-3-carboxylate
- Purity
- 95+%
- Packaging
- 1g
- Price
- $580
- Updated
- 2021/12/16
- Product number
- CHM0167581
- Product name
- 1-METHYL-1H-[1,2,4]TRIAZOLE-3-CARBOXYLIC ACID METHYL ESTER
- Purity
- 95.00%
- Packaging
- 250MG
- Price
- $933.24
- Updated
- 2021/12/16
- Product number
- 074900
- Product name
- Methyl 1-methyl-1H-[1,2,4]triazole-3-carboxylate
- Purity
- 95+%
- Packaging
- 5g
- Price
- $1060
- Updated
- 2021/12/16
- Product number
- CHM0167581
- Product name
- 1-METHYL-1H-[1,2,4]TRIAZOLE-3-CARBOXYLIC ACID METHYL ESTER
- Purity
- 95.00%
- Packaging
- 1G
- Price
- $1346.73
- Updated
- 2021/12/16
1H-1,2,4-Triazole-3-carboxylicacid,1-methyl-,methylester(9CI) Chemical Properties,Usage,Production
Synthesis
4928-88-5
74-88-4
57031-66-0
Step A: Preparation of methyl 1-methyl-1H-1,2,4-triazole-3-carboxylate: To a suspension of sodium hydride (60% oil dispersion, 0.346 g, 8.66 mmol) in N,N-dimethylformamide (DMF, 20 mL) under stirring at 0°C under nitrogen protection was slowly added dropwise methyl 1H-1,2,4-triazole-3-carboxylate (1.00 g, a 7.87 mmol) solution in DMF (20 mL). The reaction mixture was continued to be stirred at 0 °C for 1 hour. Subsequently, iodomethane (MeI, 0.982 mL, 15.7 mmol) was added dropwise. The reaction mixture was stirred at room temperature overnight. Upon completion of the reaction, the mixture was poured into cold water and extracted with ethyl acetate (EtOAc). The organic layers were combined, washed with saturated brine, dried over anhydrous sodium sulfate and concentrated under reduced pressure. The residue was purified by silica gel column chromatography (eluent: hexane/ethyl acetate=3:1) to afford the target product methyl 1-methyl-1H-1,2,4-triazole-3-carboxylate (0.380 g, 34% yield) as a white solid. Mass spectrum (APCI) m/z = 142.1 (M + H).
References
[1] Chemistry and Biodiversity, 2017, vol. 14, # 12,
[2] Patent: WO2014/78417, 2014, A1. Location in patent: Paragraph 00310
[3] Patent: WO2014/78322, 2014, A1. Location in patent: Paragraph 00430
[4] Patent: WO2014/78325, 2014, A1. Location in patent: Paragraph 00614
[5] Patent: WO2014/78408, 2014, A1. Location in patent: Paragraph 00545
1H-1,2,4-Triazole-3-carboxylicacid,1-methyl-,methylester(9CI) Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 1H-1,2,4-Triazole-3-carboxylicacid,1-methyl-,methylester(9CI) manufacturers
- Product
- Methyl 1-methyl-1H-1,2,4-triazole-3-carboxylate 57031-66-0
- Price
- US $8.80-2.20/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 100kg
- Release date
- 2025-06-27